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Compound Detail

CHEMBL4461218

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Nc1ccnc2c1c(C#Cc1ccccc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461218
Phase Preclinical
Structure Type MOL
InChI Key AFJVERSCGBYSCJ-DLVXIWMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
0.63
ALogP
7
HBA
4
HBD
113.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O4
MW 365.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
31495177 10.1021/acs.jmedchem.9b01275 Trypanosoma cruzi 1
31495177 10.1021/acs.jmedchem.9b01275 Unchecked 1

Data from ChEMBL 36 via Core Engine